1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C10H16O2 — CID 130178360

IUPAC1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2OC(O)C3CC1(C)CC32
InChIInChI=1S/C10H16O2/c1-5-8-6-3-10(5,2)4-7(6)9(11)12-8/h5-9,11H,3-4H2,1-2H3
InChIKeyXVJXJSWJWISFPV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds

About 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 130178360) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID130178360
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2OC(O)C3CC1(C)CC32
InChIInChI=1S/C10H16O2/c1-5-8-6-3-10(5,2)4-7(6)9(11)12-8/h5-9,11H,3-4H2,1-2H3
InChIKeyXVJXJSWJWISFPV-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 130178360) is 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is CC1C2OC(O)C3CC1(C)CC32.
What is the InChIKey of 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is XVJXJSWJWISFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-6-3-10(5,2)4-7(6)9(11)12-8/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 130178360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).